SCHEMBL23979723

SCHEMBL23979723

CC(C)c1c(F)c(O)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.47
NQO2 P16083 1/20 0.41
AHR P35869 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
UGT2B7 P16662 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
STAT3 P40763 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11233768 0.83 TRPM4 (0.52) TRPM4NQO2AHRNCEH1MEN1
SCHEMBL19202196 0.81 TRPM4 (0.50) TRPM4NQO2AHRNCEH1MEN1
SCHEMBL27051333 0.80 TRPM4 (0.48) TRPM4NQO2AHRNCEH1MEN1
SCHEMBL27051382 0.79 TRPM4 (0.47) TRPM4NQO2AHRNCEH1MEN1
SCHEMBL8090751 0.78 TRPM4 (0.50) TRPM4NQO2AHRCYP1A2ALOX5
SCHEMBL31258857 0.77 TRPM4 (0.58) TRPM4NQO2MEN1KMT2ACYP1A2
SCHEMBL40806 0.76 ALDH1A1 (0.44) TRPM4NQO2AHRNCEH1MEN1
SCHEMBL16646896 0.76 TRPM4 (0.52) TRPM4NQO2MEN1KMT2ACYP1A2
SCHEMBL631989 0.75 TRPM4 (0.56) TRPM4NQO2MEN1KMT2ACYP1A2
SCHEMBL29680396 0.75 TRPM4 (0.56) TRPM4NQO2MEN1KMT2ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TRPM4 4829/4885NQO2 672/4885AHR 732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.